Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
2.6004 1.0988 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6782 0.8066 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3912 -0.6541 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7444 -1.2644 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 -0.6153 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5832 -0.7268 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8221 -0.0542 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3019 0.9726 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2582 1.9646 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2534 0.2664 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 1.4360 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7549 1.4192 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 1.1518 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3468 -1.1773 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6901 -0.7811 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4305 -1.0605 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6854 -2.3501 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9893 -1.1822 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3549 0.4373 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 -1.8247 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2587 -0.2939 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3326 -0.3999 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8524 1.3825 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2061 1.4486 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers